[(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate

C18H16FNO2 — CID 7663759

IUPAC[(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate
SMILESC[C@H](OC(=O)Cc1c[nH]c2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C18H16FNO2/c1-12(13-6-8-15(19)9-7-13)22-18(21)10-14-11-20-17-5-3-2-4-16(14)17/h2-9,11-12,20H,10H2,1H3/t12-/m0/s1
InChIKeyIUMSOANGWATZFC-LBPRGKRZSA-N
MW297.33 g/mol
LogP4.15
Rot. Bonds4

About [(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate

[(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 7663759) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is [(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate
PubChem CID7663759
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name[(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate
SMILESC[C@H](OC(=O)Cc1c[nH]c2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C18H16FNO2/c1-12(13-6-8-15(19)9-7-13)22-18(21)10-14-11-20-17-5-3-2-4-16(14)17/h2-9,11-12,20H,10H2,1H3/t12-/m0/s1
InChIKeyIUMSOANGWATZFC-LBPRGKRZSA-N
XLogP4.15
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 40616153
1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78873695
[3-carboxy-2-[2-(1H-indol-3-yl)acetyl]oxypropyl]-trimethylazanium
CID 172880053
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960222
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612958
2,3,4-tris[[2-(1H-indol-3-yl)acetyl]oxy]butyl 2-(1H-indol-3-yl)acetate
CID 146458063
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960199
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(1H-indol-3-yl)acetate
CID 7604007
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 8661248
[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 27911555
chloro 2-(1H-indol-3-yl)acetate
CID 174694401
1-(4-fluorophenyl)-2-(1H-indol-3-yl)ethanol
CID 175092727

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate (CID 7663759) is [(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate is C[C@H](OC(=O)Cc1c[nH]c2ccccc12)c1ccc(F)cc1.
What is the InChIKey of [(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is IUMSOANGWATZFC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-12(13-6-8-15(19)9-7-13)22-18(21)10-14-11-20-17-5-3-2-4-16(14)17/h2-9,11-12,20H,10H2,1H3/t12-/m0/s1.
What are the key properties of [(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate?
[(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 297.33 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 7663759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).